Geometry & MOs

Info

ID:	328981
PubChem CID:	126729938
Reduced:	N5H51C73 (1)
Stoich.:	A5B51C73 (1)
Weight, g/mol:	153.101445
ΔH_f, kcal/mol:	312.54
Dipole, Da:	4.53
IP(EA), eV:	-8.03(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine

Drug info:

Smile

CC1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=C(C=C3)C)C4=CC(=C(C=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N7C8=C(C=C(C=C8)N9C1=CC=CC=C1C1=CC=CC=C19)C1=C7C=CC(=C1)N1C2=CC=CC=C2C2=CC=CC=C21)C

DOS

IR

Vibrations