Geometry & MOs

Info

ID:	126155
PubChem CID:	50953601
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	392.170922
ΔH_f, kcal/mol:	-167.01
Dipole, Da:	8.9
IP(EA), eV:	-9.18(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[5-phenyl-3-[3-(2H-tetrazol-5-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=CC=C1)OCC(=O)N2CCC(C2)C(=O)NCC

DOS

IR

Vibrations