Geometry & MOs

Info

ID:	350218
PubChem CID:	127277296
Reduced:	N3O4C15H27 (1)
Stoich.:	A3B4C15D27 (1)
Weight, g/mol:	305.173942
ΔH_f, kcal/mol:	-188.52
Dipole, Da:	5.22
IP(EA), eV:	-9.51(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCN(CC1)C(=O)NCC2COCCO2

DOS

IR

Vibrations