Geometry & MOs

Info

ID:	423472
PubChem CID:	135119561
Reduced:	N5O5C27H41 (1)
Stoich.:	A5B5C27D41 (1)
Weight, g/mol:	311.149458
ΔH_f, kcal/mol:	-243.5
Dipole, Da:	4.94
IP(EA), eV:	-9.32(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyrazol-1-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]butanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCCC1)C(C)C)C)CC2=CC=CC=C2

DOS

IR

Vibrations