Geometry & MOs

Info

ID:	122694
PubChem CID:	50817374
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-55.91
Dipole, Da:	6.3
IP(EA), eV:	-8.15(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(2,4-dimethylphenyl)-N'-(oxolan-2-ylmethyl)carbamimidoyl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)NC(=NCC2CCCO2)NC3=C(C=C(C=C3)C)C

DOS

IR

Vibrations