Geometry & MOs

Info

ID:	422839
PubChem CID:	135118495
Reduced:	N5C23H27 (1)
Stoich.:	A5B23C27 (1)
Weight, g/mol:	390.216809
ΔH_f, kcal/mol:	78.01
Dipole, Da:	0.61
IP(EA), eV:	-8.66(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylbenzimidazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CN2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations