Geometry & MOs

Info

ID:	423880
PubChem CID:	135120596
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	289.19026
ΔH_f, kcal/mol:	-76.88
Dipole, Da:	7.31
IP(EA), eV:	-9.21(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(2-methylimidazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NN=C(C2=CC=CC=C12)N3CC[C@@H]([C@@H](C3)O)C(=O)O

DOS

IR

Vibrations