Geometry & MOs

Info

ID:	199371
PubChem CID:	79236188
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	238.179361
ΔH_f, kcal/mol:	-61.34
Dipole, Da:	5.38
IP(EA), eV:	-8.99(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNC(=O)CC2CCCNC2

DOS

IR

Vibrations