Geometry & MOs

Info

ID:	152491
PubChem CID:	56311428
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	425.24269
ΔH_f, kcal/mol:	-141.03
Dipole, Da:	7.69
IP(EA), eV:	-8.63(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCC1=C(NC(=C1C(=O)C)C)C(=O)CN2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations