Geometry & MOs

Info

ID:	195657
PubChem CID:	78718349
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-131.88
Dipole, Da:	6.58
IP(EA), eV:	-8.41(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[5-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-3-oxoprop-1-enyl]furan-2-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(C)N2CCC(CC2)C(=O)N

DOS

IR

Vibrations