Geometry & MOs

Info

ID:	440083
PubChem CID:	135229969
Reduced:	PN3C12H24 (1)
Stoich.:	AB3C12D24 (1)
Weight, g/mol:	394.117209
ΔH_f, kcal/mol:	12.52
Dipole, Da:	3.05
IP(EA), eV:	-8.68(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-buta-1,3-dien-2-yl-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-6,7,8,9-tetrahydropyrazino[2,3-b][1,4]diazepine

Drug info:

PubChemData

Smile

CC(C)/C(=C/C(=N)CNC1CCNCC1)/P

DOS

IR

Vibrations