Geometry & MOs

Info

ID:	74183
PubChem CID:	48421559
Reduced:	ON4C20H32 (1)
Stoich.:	AB4C20D32 (1)
Weight, g/mol:	337.175004
ΔH_f, kcal/mol:	-42.45
Dipole, Da:	4.56
IP(EA), eV:	-8.37(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamoyl-(cyclopropylmethyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CCC(CC2)CCN3CCN(CC3)C

DOS

IR

Vibrations