Geometry & MOs

Info

ID:	245317
PubChem CID:	99443289
Reduced:	N5O5C19H21 (1)
Stoich.:	A5B5C19D21 (1)
Weight, g/mol:	410.187339
ΔH_f, kcal/mol:	-117.52
Dipole, Da:	4.31
IP(EA), eV:	-8.46(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC(=O)NNC(=O)[C@H]2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4)C

DOS

IR

Vibrations