Geometry & MOs

Info

ID:	414600
PubChem CID:	135087559
Reduced:	SO4N5C17H25 (1)
Stoich.:	AB4C5D17E25 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-126.12
Dipole, Da:	8.79
IP(EA), eV:	-9.43(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C(=NN12)C)C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations