Geometry & MOs

Info

ID:	198557
PubChem CID:	79118917
Reduced:	NSC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	1.8
Dipole, Da:	2.5
IP(EA), eV:	-8.8(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-2-(2,5-dimethoxyphenyl)azepane

Drug info:

PubChemData

Smile

CC1(CCCCCN1)CC2=CC=CS2

DOS

IR

Vibrations