Geometry & MOs

Info

ID:	123036
PubChem CID:	50831010
Reduced:	O3N6C24H40 (1)
Stoich.:	A3B6C24D40 (1)
Weight, g/mol:	445.247775
ΔH_f, kcal/mol:	-127.87
Dipole, Da:	8.57
IP(EA), eV:	-9.07(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[[4-(2-methylpropylcarbamoyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)C1CCN(CC1)C(=O)C2=NN(C3=C2CN(CC3)C(=O)C(C)C)C

DOS

IR

Vibrations