Geometry & MOs

Info

ID:	74513
PubChem CID:	48421982
Reduced:	NO4C12H21 (1)
Stoich.:	AB4C12D21 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-180.3
Dipole, Da:	2.95
IP(EA), eV:	-9.89(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCCC(=O)OC)OCC1CC1

DOS

IR

Vibrations