Geometry & MOs

Info

ID:	233437
PubChem CID:	90944476
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	312.162649
ΔH_f, kcal/mol:	-13.9
Dipole, Da:	4.33
IP(EA), eV:	-8.93(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(3-methylnaphthalen-1-yl)naphthalene-1,3-diamine

Drug info:

PubChemData

Smile

CC12CCC(O1)C3=C(N(C(=C23)O)C4=CC=C(C=C4)N5C=CN=C5)O

DOS

IR

Vibrations