Geometry & MOs

Info

ID:	277295
PubChem CID:	103827672
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-32.38
Dipole, Da:	4.73
IP(EA), eV:	-8.8(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyloxan-4-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1(C(CC1OC)NC2=NC=NC3=C2CCCCC3)C

DOS

IR

Vibrations