Geometry & MOs

Info

ID:	290235
PubChem CID:	104421305
Reduced:	O2N5C13H21 (1)
Stoich.:	A2B5C13D21 (1)
Weight, g/mol:	267.169525
ΔH_f, kcal/mol:	-78.86
Dipole, Da:	7.73
IP(EA), eV:	-9.2(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCNC(=O)C1CC2=C(CN1)NC=N2

DOS

IR

Vibrations