Geometry & MOs

Info

ID:	204061
PubChem CID:	79907118
Reduced:	ON2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-39.42
Dipole, Da:	2.03
IP(EA), eV:	-8.31(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-1-(3-methoxypropyl)-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine

Drug info:

PubChemData

Smile

CC(C)OCCN1CC2(CCCC2)NCC3=CC=CC=C31

DOS

IR

Vibrations