Geometry & MOs

Info

ID:	350200
PubChem CID:	127277278
Reduced:	OSN5C21H29 (1)
Stoich.:	ABC5D21E29 (1)
Weight, g/mol:	387.172896
ΔH_f, kcal/mol:	14.28
Dipole, Da:	3.38
IP(EA), eV:	-8.66(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CC2=CSC(=N2)NC(=O)N3CCN(C4=CC=CC=C4C3)C

DOS

IR

Vibrations