Geometry & MOs

Info

ID:	151673
PubChem CID:	56261081
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	430.08921
ΔH_f, kcal/mol:	-102.57
Dipole, Da:	8.55
IP(EA), eV:	-8.28(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-(4-bromophenyl)cyclopropanecarbonyl]-(pyridin-3-ylmethyl)amino]propanoate

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)C(=O)N(CCC(=O)OCC)CC2=CN=CC=C2)C(C)C

DOS

IR

Vibrations