Geometry & MOs

Info

ID:	145416
PubChem CID:	53521026
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	374.195405
ΔH_f, kcal/mol:	-48.01
Dipole, Da:	1.79
IP(EA), eV:	-8.52(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]-3-(oxolan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC2CCN(CC2)CC(CN3C=CC=N3)O)C

DOS

IR

Vibrations