Geometry & MOs

Info

ID:	167463
PubChem CID:	74831878
Reduced:	N3O3C14H27 (1)
Stoich.:	A3B3C14D27 (1)
Weight, g/mol:	437.290309
ΔH_f, kcal/mol:	-149.38
Dipole, Da:	1.91
IP(EA), eV:	-8.32(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-5-[cyclopropylmethyl-[(3-pyrazol-1-ylphenyl)methyl]amino]-1-methyl-3,3a,4,5,6,7a-hexahydro-2H-pyrazolo[4,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)OCCN2CCN(CC2)C

DOS

IR

Vibrations