Geometry & MOs

Info

ID:	435585
PubChem CID:	135191865
Reduced:	FO2N5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-42.14
Dipole, Da:	3.05
IP(EA), eV:	-9.15(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S)-4-hydroxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]carbamate

Drug info:

PubChemData

Smile

CN1C2=C(CC[C@@H](C1=O)NC(=O)C(=N)N=C(CC3=CC=CC=C3)N)C=CC(=C2)F

DOS

IR

Vibrations