Geometry & MOs

Info

ID:	289938
PubChem CID:	104389946
Reduced:	BrN2O2C15H23 (1)
Stoich.:	AB2C2D15E23 (1)
Weight, g/mol:	302.145285
ΔH_f, kcal/mol:	-97.8
Dipole, Da:	1.81
IP(EA), eV:	-9.0(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-phenylthiophen-2-yl)methylamino]-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CCC(C1=C(C=CC(=C1)Br)O)NC(C)C(=O)NC(C)C

DOS

IR

Vibrations