Geometry & MOs

Info

ID:	398654
PubChem CID:	135034594
Reduced:	NO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	386.06299
ΔH_f, kcal/mol:	-79.88
Dipole, Da:	4.69
IP(EA), eV:	-9.92(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-[2-(2-bromophenyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]acetate

Drug info:

PubChemData

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C[C@H]([C@@H](C=O)[C@H](C[N+](=O)[O-])C1=CC=CC=C1)O

DOS

IR

Vibrations