Geometry & MOs

Info

ID:	339466
PubChem CID:	127261399
Reduced:	ClN2O7C19H27 (1)
Stoich.:	AB2C7D19E27 (1)
Weight, g/mol:	351.126903
ΔH_f, kcal/mol:	-153.71
Dipole, Da:	12.18
IP(EA), eV:	-10.41(-2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N,1-trimethyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-7-amine;dihydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)C[N+]1=C2CCCCC2=CC3=C1CCCC3.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations