Geometry & MOs

Info

ID:	196165
PubChem CID:	78792067
Reduced:	BrOSN2C14H19 (1)
Stoich.:	ABCD2E14F19 (1)
Weight, g/mol:	263.134385
ΔH_f, kcal/mol:	3.68
Dipole, Da:	4.35
IP(EA), eV:	-8.9(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-4-methylsulfanyl-N-propylbenzamide

Drug info:

PubChemData

Smile

CC1CC1C(=O)N2CCN(CC2)CC3=CC=C(S3)Br

DOS

IR

Vibrations