Geometry & MOs

Info

ID:	142410
PubChem CID:	53030236
Reduced:	N4O4C25H26 (1)
Stoich.:	A4B4C25D26 (1)
Weight, g/mol:	448.191069
ΔH_f, kcal/mol:	-101.46
Dipole, Da:	4.63
IP(EA), eV:	-8.16(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N3C=CC=C3C4(N2)CCN(CC4)C(=O)NC5=CC=CC=C5C(=O)OC

DOS

IR

Vibrations