Geometry & MOs

Info

ID:	122686
PubChem CID:	50817366
Reduced:	N3O5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-127.53
Dipole, Da:	3.72
IP(EA), eV:	-8.39(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(2-ethoxyphenyl)-N'-(oxolan-2-ylmethyl)carbamimidoyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=NCC2CCCO2)NC(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations