Geometry & MOs

Info

ID:	122737
PubChem CID:	50819660
Reduced:	ON6C25H32 (1)
Stoich.:	AB6C25D32 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	31.07
Dipole, Da:	4.25
IP(EA), eV:	-8.74(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylethyl)carbamimidoyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=C3C(=N2)N=CN=C3N4CCCC(C4)C(=O)NC5CCCCCC5

DOS

IR

Vibrations