Geometry & MOs

Info

ID:	175578
PubChem CID:	75924417
Reduced:	O3N5C27H30 (1)
Stoich.:	A3B5C27D30 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	0.34
Dipole, Da:	2.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752870
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-5-phenylbenzoate

Drug info:

PubChemData

Smile

C[NH+](C)CCN1C=CC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)N4C(=O)C5CC=CCC5C(=O)N4

DOS

IR

Vibrations