Geometry & MOs

Info

ID:	417313
PubChem CID:	135092032
Reduced:	O3N4C18H30 (1)
Stoich.:	A3B4C18D30 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	-117.91
Dipole, Da:	6.11
IP(EA), eV:	-8.65(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylquinazolin-4-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3CCN(CC3)CCOC

DOS

IR

Vibrations