Geometry & MOs

Info

ID:	122688
PubChem CID:	50817368
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	397.200156
ΔH_f, kcal/mol:	-47.64
Dipole, Da:	6.83
IP(EA), eV:	-8.27(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethoxy-N-[N-(2-methylphenyl)-N'-(oxolan-2-ylmethyl)carbamimidoyl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)NC(=NCC2CCCO2)NC3=CC=CC=C3C

DOS

IR

Vibrations