Geometry & MOs

Info

ID:	286813
PubChem CID:	104222495
Reduced:	N5C15H21 (1)
Stoich.:	A5B15C21 (1)
Weight, g/mol:	217.132746
ΔH_f, kcal/mol:	92.03
Dipole, Da:	4.53
IP(EA), eV:	-9.14(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=CN=C(N=C1)N2C=CC(=N2)C3CC3

DOS

IR

Vibrations