Geometry & MOs

Info

ID:	130181
PubChem CID:	51075158
Reduced:	O2N3C18H29 (1)
Stoich.:	A2B3C18D29 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-75.7
Dipole, Da:	3.59
IP(EA), eV:	-8.51(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]pentanoate

Drug info:

PubChemData

Smile

CC(COC)NC(=O)CN1CCN(CC1)CCC2=CC=CC=C2

DOS

IR

Vibrations