Geometry & MOs

Info

ID:	183672
PubChem CID:	77053243
Reduced:	NSO3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	189.101445
ΔH_f, kcal/mol:	-115.97
Dipole, Da:	10.04
IP(EA), eV:	-9.51(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(3-cyanophenyl)-1-methylguanidine

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C=CC(=O)NC2CCCC2C(=O)O

DOS

IR

Vibrations