Geometry & MOs

Info

ID:	297259
PubChem CID:	117614243
Reduced:	N3O4C24H33 (1)
Stoich.:	A3B4C24D33 (1)
Weight, g/mol:	149.095297
ΔH_f, kcal/mol:	-108.95
Dipole, Da:	9.74
IP(EA), eV:	-8.55(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1Z)-buta-1,3-dienyl]-1-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CC(=O)NC2=C(C=CC(=C2)[C@@H]3C[C@@H]3C(=O)O)N(CC(C)C)CC(C)C

DOS

IR

Vibrations