Geometry & MOs

Info

ID:	146459
PubChem CID:	53692878
Reduced:	N3O4C29H42 (1)
Stoich.:	A3B4C29D42 (1)
Weight, g/mol:	402.137802
ΔH_f, kcal/mol:	-187.63
Dipole, Da:	5.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.887617
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]propyl]-N-methylcyclopropanamine

Drug info:

PubChemData

Smile

CCOC(=O)CC(CC1CCCC1)C(=O)NC2CC3C=[N+](CCCCCCNC2=O)C4=CC=CC=C34

DOS

IR

Vibrations