Geometry & MOs

Info

ID:	204271
PubChem CID:	79939472
Reduced:	N2C17H26 (1)
Stoich.:	A2B17C26 (1)
Weight, g/mol:	252.143805
ΔH_f, kcal/mol:	5.27
Dipole, Da:	2.89
IP(EA), eV:	-8.21(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-difluorophenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CN2CCN3CCCC3C2

DOS

IR

Vibrations