Geometry & MOs

Info

ID:	206065
PubChem CID:	80196320
Reduced:	FN3C14H22 (1)
Stoich.:	AB3C14D22 (1)
Weight, g/mol:	254.04186
ΔH_f, kcal/mol:	-39.13
Dipole, Da:	3.35
IP(EA), eV:	-9.07(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)CCNC(=NCC(C)C)N

DOS

IR

Vibrations