Geometry & MOs

Info

ID:	416976
PubChem CID:	135090947
Reduced:	N5C22H25 (1)
Stoich.:	A5B22C25 (1)
Weight, g/mol:	354.180424
ΔH_f, kcal/mol:	95.66
Dipole, Da:	3.57
IP(EA), eV:	-8.92(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=CC=CC=C4N5C=CC=N5

DOS

IR

Vibrations