Geometry & MOs

Info

ID:	122695
PubChem CID:	50817375
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-116.77
Dipole, Da:	3.7
IP(EA), eV:	-8.68(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[N-(4-methylphenyl)-N'-(oxolan-2-ylmethyl)carbamimidoyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=NCC2CCCO2)NC(=O)C3=CC(=CC(=C3)OC)OC)C

DOS

IR

Vibrations