Geometry & MOs

Info

ID:	436830
PubChem CID:	135212051
Reduced:	O3N5C36H41 (1)
Stoich.:	A3B5C36D41 (1)
Weight, g/mol:	192.101111
ΔH_f, kcal/mol:	-50.23
Dipole, Da:	5.48
IP(EA), eV:	-9.11(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-N,N'-diaminomethanimidamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C2=CC3=C(CN(CC3)C4=NC=NC(=C4)C5=CC=CC=C5OC)C=C2)N6CCC(CC6)(C)C)CC(=O)O

DOS

IR

Vibrations