Geometry & MOs

Info

ID:	24509
PubChem CID:	610624
Reduced:	O3N7C21H31 (1)
Stoich.:	A3B7C21D31 (1)
Weight, g/mol:	429.248838
ΔH_f, kcal/mol:	-89.09
Dipole, Da:	4.02
IP(EA), eV:	-9.31(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylamino]-3-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C)C1=NC(=NC(=N1)N(C)C)N)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations