Geometry & MOs

Info

ID:	415845
PubChem CID:	135088847
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	378.253195
ΔH_f, kcal/mol:	-134.52
Dipole, Da:	7.44
IP(EA), eV:	-8.83(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-5,6,7,8-tetrahydroquinazolin-2-amine

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)C3=CNC(=CC3=O)C)O

DOS

IR

Vibrations