Geometry & MOs

Info

ID:	217769
PubChem CID:	85088358
Reduced:	N3O6C19H31 (1)
Stoich.:	A3B6C19D31 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-259.4
Dipole, Da:	5.03
IP(EA), eV:	-8.89(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[5-(3-azabicyclo[3.2.2]nonan-3-yl)-1-methyl-2-oxo-1,4-benzodiazepin-3-ylidene]amino] N-ethylcarbamate

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC2C(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations