Geometry & MOs

Info

ID:	193062
PubChem CID:	78337598
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-66.88
Dipole, Da:	4.37
IP(EA), eV:	-9.15(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(5-methylpyrazolidine-3-carbonyl)hydrazinylidene]methyl]phenyl] 4-tert-butylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2NC3CCN(CC3C(=O)N2)CC(COCC#C)O

DOS

IR

Vibrations