Geometry & MOs

Info

ID:	130756
PubChem CID:	51100291
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-59.13
Dipole, Da:	2.69
IP(EA), eV:	-8.02(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1-methylpyrazol-4-yl)-(2-phenylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CN1CCCC2=C1C=CC(=C2)/C=C/C(=O)N(C)CC(=O)N3CCCC3

DOS

IR

Vibrations