Geometry & MOs

Info

ID:	71053
PubChem CID:	48414225
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	254.13789
ΔH_f, kcal/mol:	-53.6
Dipole, Da:	2.86
IP(EA), eV:	-9.35(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-oxopropyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2CCN(CC2)C(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations